4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one

C8H14N4O2 — CID 160725115

IUPAC4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one
SMILESO=C1CCN=CN1.O=C1CNCCN1
InChIInChI=1S/C4H8N2O.C4H6N2O/c7-4-3-5-1-2-6-4;7-4-1-2-5-3-6-4/h5H,1-3H2,(H,6,7);3H,1-2H2,(H,5,6,7)
InChIKeyRTPJUJDJPXKSOQ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.76
Rot. Bonds

About 4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one

4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one (PubChem CID 160725115) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one.

Molecular Properties

Compound Name4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one
PubChem CID160725115
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one
SMILESO=C1CCN=CN1.O=C1CNCCN1
InChIInChI=1S/C4H8N2O.C4H6N2O/c7-4-3-5-1-2-6-4;7-4-1-2-5-3-6-4/h5H,1-3H2,(H,6,7);3H,1-2H2,(H,5,6,7)
InChIKeyRTPJUJDJPXKSOQ-UHFFFAOYSA-N
XLogP-1.76
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one?
The IUPAC name of 4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one (CID 160725115) is 4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one.
What is the SMILES notation for 4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one?
The canonical SMILES for 4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one is O=C1CCN=CN1.O=C1CNCCN1.
What is the InChIKey of 4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one?
The InChIKey is RTPJUJDJPXKSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.C4H6N2O/c7-4-3-5-1-2-6-4;7-4-1-2-5-3-6-4/h5H,1-3H2,(H,6,7);3H,1-2H2,(H,5,6,7).
What are the key properties of 4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one?
4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one has a molecular weight of 198.23 g/mol, XLogP of -1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyrimidin-6-one;piperazin-2-one is sourced from PubChem (CID 160725115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).